UCSF

ZINC44647918

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.44 6.55 -43.68 3 3 1 46 269.796 7
Hi High (pH 8-9.5) 2.44 5.19 -7.31 2 3 0 41 268.788 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )